Chemical ID: 7101205

CCC(CO)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
Chemical ID:
7101205
Name [?]:
2-[4-[1-(hydroxymethyl)propylaminomethyl]phenoxy]-N-tert-butyl-acetamide
SMILES [?]:
CCC(CO)NCc1ccc(cc1)OCC(=O)NC(C)(C)C
InChi [?]:
InChI=1/C17H28N2O3/c1-5-14(11-20)18-10-13-6-8-15(9-7-13)22-12-16(21)19-17(2,3)4/h6-9,14,18,20H,5,10-12H2,1-4H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,22,2,9,13,10,12,7,4,15,8,3,11,16,19,6,18,5,17,14/E:(2,3,4)(6,7)(8,9)/rA:22cCCCCONCCCCCCCOCCONCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;d16;s16;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H28N2O3
All Atoms:50
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.23783
Area:557.232
Solvation:-5.69297
Coulombic:-53.4896
Bond Count [?]
All:22
Single:18
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.416
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.03
LogP (Chemaxon):1.52

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